S342-1049 Screening compound: ethyl 5-methyl-1,1-dioxo-2-[2-oxo-2-(4-toluidino)ethyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-1049 Screening compound: ethyl 5-methyl-1,1-dioxo-2-[2-oxo-2-(4-toluidino)ethyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-1049 Screening compound: ethyl 5-methyl-1,1-dioxo-2-[2-oxo-2-(4-toluidino)ethyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S342-1049
ethyl 5-methyl-1,1-dioxo-2-[2-oxo-2-(4-toluidino)ethyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S342-1049

Molecular Formula

C16H19N3O5S (C16 H19 N3 O5 S)

Compound Name

ethyl 5-methyl-1,1-dioxo-2-[2-oxo-2-(4-toluidino)ethyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

ethyl 5-methyl-2-{[(4-methylphenyl)carbamoyl]methyl}-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CCOC(C(C(C)=N1)=CN(CC(Nc2ccc(C)cc2)=O)S1(=O)=O)=O

InChI

InChI=1S/C16H19N3O5S/c1-4-24-16(21)14-9-19(25(22,23)18-12(14)3)10-15(20)17-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H,17,20)

InChI Key

TXGLBKKAGYKHCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.487

Water Solubility, LogSw

-2.52

Polar Surface Area

86.402

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with S342-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-1049?
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What is the minimum amount of S342-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-1049
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S342-1049 available by request